#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xsx n LYS 2 N 0.00 3.93 0.00 0.00 5.02 -1.26 -3.20 118.16 122.64 1xsx n LYS 2 Ca 0.00 -2.55 0.00 0.00 -2.02 0.00 0.00 58.31 53.74 1xsx n LYS 2 Cb 0.00 -2.77 0.00 0.00 -0.02 0.00 0.00 35.03 32.24 1xsx n LYS 2 CO 0.00 0.00 0.00 1.63 -0.52 0.00 0.00 177.40 178.51 1xsx n LYS 3 N 3.15 0.00 -4.16 1.97 5.02 -1.26 -5.08 118.16 117.80 1xsx n LYS 3 Ca 0.74 0.00 -0.14 0.00 -2.02 0.00 0.00 58.31 56.89 1xsx n LYS 3 Cb 0.24 0.00 -0.07 0.00 -0.02 0.00 0.00 35.03 35.18 1xsx n LYS 3 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1xsx s LYS 4 N 0.00 1.58 0.00 1.97 1.02 -1.20 -2.28 119.74 120.83 1xsx s LYS 4 Ca 0.00 -1.70 0.00 0.00 0.02 0.00 0.00 55.97 54.29 1xsx s LYS 4 Cb 0.00 0.36 0.00 0.00 -0.52 0.00 0.00 37.83 37.67 1xsx s LYS 4 CO 0.00 -0.60 0.00 0.45 -0.92 0.00 0.00 175.35 174.28 1xsx n SER 5 N -0.90 0.00 0.00 2.83 2.88 -1.26 -4.36 113.62 112.81 1xsx n SER 5 Ca 0.02 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.56 1xsx n SER 5 Cb 0.63 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 64.09 1xsx n SER 5 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 1xsx n LYS 6 N -2.00 0.00 -0.07 -1.46 2.85 -1.26 -4.96 118.16 111.25 1xsx n LYS 6 Ca 0.00 0.00 -0.06 0.00 -1.05 0.00 0.00 58.31 57.20 1xsx n LYS 6 Cb 0.00 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.36 1xsx n LYS 6 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 177.40 177.24 1xsx n LEU 7 N -0.64 1.73 0.00 -5.58 7.94 -1.26 -4.38 117.00 114.81 1xsx n LEU 7 Ca 0.00 0.44 -0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1xsx n LEU 7 Cb 0.00 -0.78 -0.00 0.00 0.53 0.00 0.00 43.42 43.17 1xsx n LEU 7 CO 0.00 -0.37 0.06 -0.08 -1.11 0.00 0.00 177.39 175.89 1xsx h GLU 8 N -0.92 -0.02 -0.62 1.96 4.81 -1.76 -2.59 114.58 115.44 1xsx h GLU 8 Ca 0.00 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.46 1xsx h GLU 8 Cb 0.72 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 29.99 1xsx h GLU 8 CO 0.00 -0.02 0.23 -0.89 -0.73 0.00 0.00 179.01 177.60 1xsx n ILE 9 N -2.41 -0.26 0.40 2.32 2.08 -1.26 0.23 119.36 120.46 1xsx n ILE 9 Ca -0.00 1.29 -0.17 0.00 0.56 0.00 0.00 62.75 64.42 1xsx n ILE 9 Cb 0.01 -2.02 -0.09 0.00 -0.75 0.00 0.00 39.64 36.79 1xsx n ILE 9 CO 0.00 0.00 0.00 0.40 0.56 0.00 0.00 176.55 177.51 1xsx h ILE 10 N 0.00 0.15 -0.97 1.39 5.03 -1.76 -1.38 117.51 119.95 1xsx h ILE 10 Ca 0.47 -0.16 0.31 0.00 -0.12 0.00 0.00 64.86 65.37 1xsx h ILE 10 Cb 1.18 0.17 -0.15 0.00 -3.03 0.00 0.00 36.82 34.99 1xsx h ILE 10 CO -0.51 0.01 0.46 -0.61 -0.68 0.00 0.00 178.15 176.81 1xsx h GLN 11 N -1.16 0.22 -0.16 2.37 4.15 0.34 2.16 115.11 123.02 1xsx h GLN 11 Ca -0.11 -0.01 -0.09 0.00 0.77 0.00 0.00 58.65 59.22 1xsx h GLN 11 Cb 0.81 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 28.43 1xsx h GLN 11 CO 0.17 0.15 -0.28 0.00 -1.93 0.00 0.00 178.83 176.94 1xsx h ALA 12 N 1.87 1.23 -0.12 3.38 0.00 -0.97 -1.09 119.26 123.56 1xsx h ALA 12 Ca 0.70 -0.33 -0.02 0.00 0.00 0.00 0.00 54.91 55.27 1xsx h ALA 12 Cb 1.61 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 19.30 1xsx h ALA 12 CO -0.66 0.51 0.01 0.82 0.00 0.00 0.00 179.25 179.92 1xsx h ILE 13 N 0.27 1.24 -0.81 0.00 1.08 0.46 -1.50 117.51 118.25 1xsx h ILE 13 Ca 0.04 -0.77 0.01 0.00 -0.39 0.00 0.00 64.86 63.75 1xsx h ILE 13 Cb 0.64 1.52 -0.04 0.00 -3.07 0.00 0.00 36.82 35.87 1xsx h ILE 13 CO 0.05 0.22 0.53 -0.07 -0.69 0.00 0.00 178.15 178.19 1xsx h LEU 14 N -0.05 0.93 -0.38 1.44 3.38 -0.75 -2.07 115.31 117.80 1xsx h LEU 14 Ca 0.03 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.89 1xsx h LEU 14 Cb 0.33 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 1xsx h LEU 14 CO 0.00 0.68 -0.09 -0.33 0.09 0.00 0.00 178.44 178.80 1xsx h GLU 15 N 1.09 0.74 -0.30 1.13 5.08 -0.93 -1.60 114.58 119.79 1xsx h GLU 15 Ca 0.29 -0.28 -0.07 0.00 -1.00 0.00 0.00 59.36 58.31 1xsx h GLU 15 Cb -0.12 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.07 1xsx h GLU 15 CO -0.06 0.88 -0.09 0.00 -1.00 0.00 0.00 179.01 178.73 1xsx h ALA 16 N 0.84 1.28 0.00 3.43 0.00 -0.90 -0.88 119.26 123.03 1xsx h ALA 16 Ca 0.10 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.76 1xsx h ALA 16 Cb 0.60 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1xsx h ALA 16 CO 0.04 0.48 0.00 0.00 0.00 0.00 0.00 179.25 179.76 1xsx n LYS 18 N -2.29 0.00 -0.49 0.00 2.85 -0.34 -1.30 118.16 116.59 1xsx n LYS 18 Ca 0.04 0.05 0.00 0.00 -1.05 0.00 0.00 58.31 57.35 1xsx n LYS 18 Cb 0.37 -1.56 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 1xsx n LYS 18 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1xsx n SER 19 N -0.83 0.00 -1.51 -5.58 7.64 -1.23 -4.80 113.62 107.29 1xsx n SER 19 Ca 0.00 -1.02 -0.00 0.00 1.01 0.00 0.00 58.87 58.86 1xsx n SER 19 Cb 0.06 -0.00 -0.00 0.00 -1.01 0.00 0.00 64.21 63.26 1xsx n SER 19 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1xsx n GLY 20 N 0.00 -2.92 3.29 0.23 0.00 -0.71 -5.01 105.19 100.06 1xsx n GLY 20 Ca 0.00 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.57 1xsx n GLY 20 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xsx s SER 21 N -0.01 -0.42 1.11 1.61 0.01 -0.22 -4.83 113.70 110.95 1xsx s SER 21 Ca -0.00 0.81 -0.16 0.00 1.31 0.00 0.00 55.95 57.91 1xsx s SER 21 Cb 0.00 0.81 0.24 0.00 0.21 0.00 0.00 66.02 67.28 1xsx s SER 21 CO 0.01 -0.14 1.10 -2.16 0.41 0.00 0.00 173.24 172.45 1xsx s PRO 22 N 0.34 -0.47 0.50 12.44 0.04 -1.26 -2.15 135.00 144.43 1xsx s PRO 22 Ca -0.01 0.22 0.21 0.00 0.04 0.00 0.00 61.00 61.46 1xsx s PRO 22 Cb -0.03 -1.66 1.29 0.00 0.04 0.00 0.00 34.50 34.14 1xsx s PRO 22 CO -0.01 -3.27 2.07 0.87 0.04 0.00 0.00 177.00 176.70 1xsx h LYS 23 N -2.27 0.00 -0.65 4.56 1.57 -1.98 -2.43 116.57 115.37 1xsx h LYS 23 Ca -0.50 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 1xsx h LYS 23 Cb 1.32 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.60 1xsx h LYS 23 CO 0.46 0.12 0.27 1.79 -0.57 0.00 0.00 179.45 181.52 1xsx h THR 24 N 0.00 1.24 0.00 -0.16 1.35 -2.01 -1.78 112.91 111.54 1xsx h THR 24 Ca -0.00 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.13 1xsx h THR 24 Cb 0.24 0.50 0.00 0.00 -1.73 0.00 0.00 68.15 67.16 1xsx h THR 24 CO 0.02 0.29 0.00 -0.09 -0.25 0.00 0.00 175.52 175.48 1xsx h ARG 25 N 0.91 0.00 0.00 4.72 9.65 -1.77 -0.95 114.38 126.94 1xsx h ARG 25 Ca 0.22 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.10 1xsx h ARG 25 Cb 0.20 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.78 1xsx h ARG 25 CO -0.02 0.00 -0.97 -0.89 2.80 0.00 0.00 179.97 180.89 1xsx n ILE 26 N -2.39 0.32 -0.12 1.20 5.41 -0.68 -4.09 119.36 119.01 1xsx n ILE 26 Ca -0.00 -0.34 -0.09 0.00 1.00 0.00 0.00 62.75 63.32 1xsx n ILE 26 Cb 0.12 -0.03 -0.01 0.00 -0.71 0.00 0.00 39.64 39.01 1xsx n ILE 26 CO 0.00 0.00 0.00 -0.03 0.00 0.00 0.00 176.55 176.52 1xsx h MET 27 N 0.00 0.51 -0.06 0.38 4.05 -0.98 -2.70 114.93 116.13 1xsx h MET 27 Ca 0.00 -0.05 0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1xsx h MET 27 Cb 0.82 -0.10 -0.06 0.00 -0.80 0.00 0.00 31.60 31.45 1xsx h MET 27 CO 0.00 0.41 -0.51 1.88 0.23 0.00 0.00 176.91 178.92 1xsx h TYR 28 N 0.48 -1.48 -1.24 1.39 0.05 -1.71 0.20 116.97 114.66 1xsx h TYR 28 Ca 0.13 0.05 0.40 0.00 0.05 0.00 0.00 58.73 59.37 1xsx h TYR 28 Cb 0.04 0.66 -0.13 0.00 1.01 0.00 0.00 36.73 38.30 1xsx h TYR 28 CO -0.03 -0.55 0.79 0.78 -1.05 0.00 0.00 178.16 178.10 1xsx h GLY 29 N -0.61 1.42 -3.75 3.88 0.00 -1.68 -3.43 103.07 98.90 1xsx h GLY 29 Ca 0.03 -0.14 0.21 0.00 0.00 0.00 0.00 47.33 47.43 1xsx h GLY 29 CO -0.38 -0.40 0.72 0.00 0.00 0.00 0.00 176.54 176.47 1xsx s ALA 30 N -5.36 -2.00 -0.14 3.60 0.00 0.71 -5.10 121.76 113.47 1xsx s ALA 30 Ca -0.08 1.46 -0.38 0.00 0.00 0.00 0.00 51.96 52.96 1xsx s ALA 30 Cb 0.30 -0.07 -0.16 0.00 0.00 0.00 0.00 23.12 23.19 1xsx s ALA 30 CO 0.81 -0.59 1.63 -1.71 0.00 0.00 0.00 175.76 175.91 1xsx n ASN 31 N -0.05 2.30 -4.60 0.00 2.85 -1.24 -4.12 115.26 110.39 1xsx n ASN 31 Ca -0.03 1.08 -0.43 0.00 -0.11 0.00 0.00 54.58 55.09 1xsx n ASN 31 Cb 0.59 -1.19 -0.02 0.00 1.24 0.00 0.00 39.78 40.40 1xsx n ASN 31 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1xsx s LEU 32 N 2.58 3.62 0.00 1.20 1.98 -1.26 -4.82 118.68 121.99 1xsx s LEU 32 Ca 0.93 0.66 0.00 0.00 -2.89 0.00 0.00 54.13 52.83 1xsx s LEU 32 Cb -0.99 -3.55 0.00 0.00 0.66 0.00 0.00 46.19 42.32 1xsx s LEU 32 CO 0.58 -1.32 0.05 -1.20 -1.89 0.00 0.00 176.35 172.56 1xsx n SER 33 N 8.26 0.03 0.00 3.68 7.64 -1.26 -4.44 113.62 127.53 1xsx n SER 33 Ca 0.14 -0.13 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1xsx n SER 33 Cb 0.48 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1xsx n SER 33 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xsx n TYR 34 N -0.06 0.00 -0.00 1.43 4.19 -1.26 0.47 117.16 121.93 1xsx n TYR 34 Ca 0.00 0.00 -0.09 0.00 3.31 0.00 0.00 57.90 61.12 1xsx n TYR 34 Cb 0.01 -0.46 -0.03 0.00 0.49 0.00 0.00 39.34 39.34 1xsx n TYR 34 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 1xsx h ALA 35 N 0.00 -0.01 0.03 2.98 0.00 -2.02 -3.30 119.26 116.93 1xsx h ALA 35 Ca 0.00 0.05 -0.38 0.00 0.00 0.00 0.00 54.91 54.58 1xsx h ALA 35 Cb 0.00 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 17.96 1xsx h ALA 35 CO 0.00 -0.56 -2.33 1.28 0.00 0.00 0.00 179.25 177.64 1xsx n LEU 36 N -5.25 2.43 -0.30 0.00 4.77 1.68 -4.54 117.00 115.79 1xsx n LEU 36 Ca -0.03 -0.02 0.18 0.00 -0.03 0.00 0.00 56.01 56.10 1xsx n LEU 36 Cb 0.17 -0.72 0.34 0.00 -2.33 0.00 0.00 43.42 40.88 1xsx n LEU 36 CO 0.24 0.84 0.77 0.41 -1.33 0.00 0.00 177.39 178.33 1xsx n THR 37 N -3.23 -0.37 -0.00 -5.08 -1.04 0.40 0.20 114.28 105.15 1xsx n THR 37 Ca -0.40 1.89 0.20 0.00 -2.04 0.00 0.00 64.05 63.69 1xsx n THR 37 Cb 1.03 -2.85 0.41 0.00 -1.82 0.00 0.00 70.33 67.10 1xsx n THR 37 CO 0.00 0.00 0.00 1.23 -0.64 0.00 0.00 175.07 175.66 1xsx h GLY 38 N 0.00 0.00 1.76 3.41 0.00 -1.79 2.80 103.07 109.24 1xsx h GLY 38 Ca 0.60 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 47.78 1xsx h GLY 38 CO -0.78 0.00 -0.61 -0.09 0.00 0.00 0.00 176.54 175.06 1xsx h ARG 39 N 0.00 0.24 0.02 4.80 2.43 0.19 -0.29 114.38 121.77 1xsx h ARG 39 Ca 0.30 -0.17 -0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1xsx h ARG 39 Cb 2.27 0.03 0.01 0.00 -0.42 0.00 0.00 29.97 31.86 1xsx h ARG 39 CO -0.00 0.78 -0.39 1.88 -1.51 0.00 0.00 179.97 180.72 1xsx h TYR 40 N 0.18 0.36 0.41 2.20 0.05 0.48 -2.06 116.97 118.60 1xsx h TYR 40 Ca -0.01 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.55 1xsx h TYR 40 Cb 1.11 -0.04 0.00 0.00 1.01 0.00 0.00 36.73 38.82 1xsx h TYR 40 CO 0.02 1.04 -0.20 0.82 -1.05 0.00 0.00 178.16 178.80 1xsx h ILE 41 N -0.42 0.54 -0.43 -2.88 2.04 -1.47 0.15 117.51 115.04 1xsx h ILE 41 Ca -0.05 -0.44 0.08 0.00 1.00 0.00 0.00 64.86 65.45 1xsx h ILE 41 Cb 1.16 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.90 1xsx h ILE 41 CO 0.08 0.07 -0.07 0.50 0.00 0.00 0.00 178.15 178.73 1xsx h LYS 42 N -0.82 0.03 -0.35 2.37 1.63 -1.18 0.27 116.57 118.51 1xsx h LYS 42 Ca -0.06 -0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.78 1xsx h LYS 42 Cb 0.54 -0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.13 1xsx h LYS 42 CO 0.09 0.02 0.14 1.98 -3.45 0.00 0.00 179.45 178.23 1xsx h MET 43 N 0.03 0.29 -0.22 1.90 4.05 -1.29 0.73 114.93 120.41 1xsx h MET 43 Ca 0.21 -0.02 -0.04 0.00 -0.28 0.00 0.00 59.70 59.57 1xsx h MET 43 Cb 0.32 -0.07 -0.01 0.00 -0.80 0.00 0.00 31.60 31.04 1xsx h MET 43 CO -0.42 0.19 -0.03 -0.07 0.23 0.00 0.00 176.91 176.82 1xsx h LEU 44 N 0.30 0.31 -0.01 3.39 3.38 0.41 0.13 115.31 123.22 1xsx h LEU 44 Ca 0.16 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 1xsx h LEU 44 Cb 0.11 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1xsx h LEU 44 CO -0.15 0.39 -0.21 0.24 0.09 0.00 0.00 178.44 178.80 1xsx h MET 45 N 0.32 0.16 -0.10 1.13 2.86 0.58 0.33 114.93 120.22 1xsx h MET 45 Ca 0.07 -0.16 0.03 0.00 -2.06 0.00 0.00 59.70 57.58 1xsx h MET 45 Cb 0.27 0.04 -0.00 0.00 0.06 0.00 0.00 31.60 31.97 1xsx h MET 45 CO 0.01 0.88 0.09 0.22 1.06 0.00 0.00 176.91 179.18 1xsx h ASP 46 N -0.50 0.00 0.05 1.22 3.58 0.77 0.88 116.42 122.42 1xsx h ASP 46 Ca -0.02 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.43 1xsx h ASP 46 Cb 0.95 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.00 1xsx h ASP 46 CO 0.04 0.00 -0.29 0.18 -2.88 0.00 0.00 179.24 176.29 1xsx n LEU 47 N -4.05 1.84 -1.62 2.28 4.32 0.44 -4.99 117.00 115.23 1xsx n LEU 47 Ca -0.01 -0.63 -0.00 0.00 -0.02 0.00 0.00 56.01 55.35 1xsx n LEU 47 Cb 0.20 -0.03 0.00 0.00 -1.62 0.00 0.00 43.42 41.97 1xsx n LEU 47 CO 0.30 0.33 0.02 1.21 -1.22 0.00 0.00 177.39 178.03 1xsx n GLU 48 N 0.04 -0.13 0.00 3.23 4.07 0.30 -5.01 120.64 123.14 1xsx n GLU 48 Ca 0.12 0.60 0.00 0.00 -0.06 0.00 0.00 57.16 57.81 1xsx n GLU 48 Cb 0.44 -1.83 0.00 0.00 -0.06 0.00 0.00 31.44 29.99 1xsx n GLU 48 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1xsx n ILE 49 N -0.85 0.00 -3.46 6.31 -0.00 0.11 -4.25 119.36 117.21 1xsx n ILE 49 Ca 0.00 0.00 -0.19 0.00 -0.00 0.00 0.00 62.75 62.56 1xsx n ILE 49 Cb 0.33 0.00 -0.01 0.00 -0.00 0.00 0.00 39.64 39.96 1xsx n ILE 49 CO 0.00 0.00 0.00 -0.63 -0.00 0.00 0.00 176.55 175.92 1xsx s ILE 50 N -1.00 3.53 -0.00 1.39 1.01 -1.11 -2.35 121.20 122.67 1xsx s ILE 50 Ca 0.00 -1.13 -0.07 0.00 0.00 0.00 0.00 60.65 59.45 1xsx s ILE 50 Cb 0.00 -3.22 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1xsx s ILE 50 CO 0.00 -0.11 0.14 -0.60 0.00 0.00 0.00 174.94 174.37 1xsx s ARG 51 N -4.16 0.46 -0.36 2.79 3.52 0.88 -4.57 118.95 117.51 1xsx s ARG 51 Ca 0.47 -0.34 -0.14 0.00 -0.13 0.00 0.00 55.73 55.58 1xsx s ARG 51 Cb -0.08 0.19 -0.01 0.00 -1.56 0.00 0.00 34.95 33.50 1xsx s ARG 51 CO 0.30 -0.11 0.30 1.14 -0.81 0.00 0.00 175.30 176.13 1xsx s GLN 52 N -1.25 3.38 -0.39 5.12 -2.07 -1.26 0.24 119.66 123.43 1xsx s GLN 52 Ca -0.13 -0.66 0.04 0.00 -1.82 0.00 0.00 55.36 52.78 1xsx s GLN 52 Cb -0.07 -3.85 0.11 0.00 -1.09 0.00 0.00 33.01 28.10 1xsx s GLN 52 CO 0.01 -0.56 0.11 -2.00 -1.32 0.00 0.00 175.29 171.54 1xsx s GLU 53 N 1.83 1.55 -0.11 9.60 -6.30 -0.69 -4.89 118.70 119.69 1xsx s GLU 53 Ca 0.08 -2.02 -0.01 0.00 -2.50 0.00 0.00 54.97 50.51 1xsx s GLU 53 Cb -0.17 -3.13 0.01 0.00 0.00 0.00 0.00 34.13 30.83 1xsx s GLU 53 CO 0.11 -0.99 0.03 0.41 0.02 0.00 0.00 175.26 174.84 1xsx n GLY 54 N 3.97 -1.86 4.07 -1.50 0.00 -1.26 -2.63 105.19 105.98 1xsx n GLY 54 Ca 0.04 0.35 -0.33 0.00 0.00 0.00 0.00 46.02 46.07 1xsx n GLY 54 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1xsx n LYS 55 N 1.38 -1.46 -4.06 1.61 4.76 -1.26 -4.89 118.16 114.23 1xsx n LYS 55 Ca -0.05 0.15 -0.10 0.00 -2.87 0.00 0.00 58.31 55.44 1xsx n LYS 55 Cb 0.29 -4.73 -0.08 0.00 -1.84 0.00 0.00 35.03 28.67 1xsx n LYS 55 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 1xsx s GLN 56 N -6.73 1.09 -0.14 1.97 0.74 -1.08 -4.65 119.66 110.86 1xsx s GLN 56 Ca 0.65 -1.33 -0.01 0.00 0.05 0.00 0.00 55.36 54.72 1xsx s GLN 56 Cb -0.38 0.32 -0.01 0.00 1.10 0.00 0.00 33.01 34.04 1xsx s GLN 56 CO 0.80 -0.36 -0.12 0.71 -0.55 0.00 0.00 175.29 175.76 1xsx s TYR 57 N -4.02 2.84 0.36 1.67 2.02 -0.92 -1.70 117.35 117.59 1xsx s TYR 57 Ca 0.23 -0.71 0.03 0.00 -0.37 0.00 0.00 57.07 56.25 1xsx s TYR 57 Cb 0.05 -1.88 -0.04 0.00 -0.40 0.00 0.00 41.96 39.68 1xsx s TYR 57 CO 0.02 -0.27 0.09 1.41 -1.57 0.00 0.00 175.55 175.23 1xsx s MET 58 N 0.53 1.76 -0.15 -0.62 1.75 0.67 -1.05 119.30 122.19 1xsx s MET 58 Ca -0.08 -2.02 -0.09 0.00 -1.25 0.00 0.00 55.69 52.25 1xsx s MET 58 Cb -0.16 -0.71 -0.04 0.00 2.84 0.00 0.00 34.83 36.76 1xsx s MET 58 CO 0.04 -0.33 0.15 -0.48 -0.65 0.00 0.00 175.02 173.75 1xsx s LEU 59 N -3.53 4.31 0.37 4.11 2.34 -0.42 0.30 118.68 126.15 1xsx s LEU 59 Ca 0.30 0.38 0.07 0.00 0.06 0.00 0.00 54.13 54.94 1xsx s LEU 59 Cb 0.06 -2.10 -0.00 0.00 -0.56 0.00 0.00 46.19 43.58 1xsx s LEU 59 CO 0.15 0.30 0.51 0.28 -1.06 0.00 0.00 176.35 176.52 1xsx s THR 60 N -0.37 3.66 0.21 5.48 -1.32 -0.99 -4.80 115.64 117.51 1xsx s THR 60 Ca 0.12 -1.00 -0.00 0.00 -1.21 0.00 0.00 61.69 59.60 1xsx s THR 60 Cb -0.12 -3.25 0.29 0.00 -1.51 0.00 0.00 72.50 67.91 1xsx s THR 60 CO 0.02 -0.10 1.07 0.29 -2.21 0.00 0.00 174.62 173.69 1xsx n LYS 61 N -1.72 -0.06 0.22 7.08 4.01 -1.26 0.11 118.16 126.55 1xsx n LYS 61 Ca 0.03 1.03 -0.15 0.00 -0.51 0.00 0.00 58.31 58.72 1xsx n LYS 61 Cb 0.58 -1.62 -0.08 0.00 -0.51 0.00 0.00 35.03 33.40 1xsx n LYS 61 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 1xsx h LYS 62 N 0.00 -0.54 -0.96 1.97 1.79 -1.90 -2.24 116.57 114.69 1xsx h LYS 62 Ca 0.40 0.04 0.19 0.00 -2.18 0.00 0.00 60.65 59.09 1xsx h LYS 62 Cb 0.78 0.12 -0.11 0.00 -1.58 0.00 0.00 32.23 31.45 1xsx h LYS 62 CO -0.65 -0.26 0.55 0.78 -1.08 0.00 0.00 179.45 178.79 1xsx h GLY 63 N -0.76 1.69 0.93 3.86 0.00 0.70 0.33 103.07 109.83 1xsx h GLY 63 Ca -0.06 -0.32 -0.08 0.00 0.00 0.00 0.00 47.33 46.88 1xsx h GLY 63 CO 0.09 -0.10 -0.10 0.83 0.00 0.00 0.00 176.54 177.26 1xsx h GLU 64 N 0.68 0.66 -0.87 4.80 5.08 -1.14 -1.34 114.58 122.46 1xsx h GLU 64 Ca 0.56 -0.26 0.06 0.00 -1.00 0.00 0.00 59.36 58.72 1xsx h GLU 64 Cb 0.89 -0.03 -0.06 0.00 0.50 0.00 0.00 28.75 30.06 1xsx h GLU 64 CO -0.40 0.84 0.56 0.93 -1.00 0.00 0.00 179.01 179.95 1xsx h GLU 65 N 0.44 0.94 -0.14 2.33 5.08 -0.37 -0.76 114.58 122.10 1xsx h GLU 65 Ca 0.08 -0.06 -0.17 0.00 -1.00 0.00 0.00 59.36 58.21 1xsx h GLU 65 Cb 0.61 -0.21 -0.01 0.00 0.50 0.00 0.00 28.75 29.65 1xsx h GLU 65 CO 0.04 0.62 -0.62 1.25 -1.00 0.00 0.00 179.01 179.30 1xsx h LEU 66 N 0.97 0.56 -0.80 1.33 5.85 -0.88 -1.75 115.31 120.60 1xsx h LEU 66 Ca 0.37 -0.33 0.12 0.00 0.84 0.00 0.00 57.88 58.88 1xsx h LEU 66 Cb 0.21 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 40.99 1xsx h LEU 66 CO -0.14 1.05 0.41 0.25 -0.34 0.00 0.00 178.44 179.68 1xsx h LEU 67 N 0.36 0.53 -0.06 2.25 5.85 0.02 0.87 115.31 125.14 1xsx h LEU 67 Ca -0.01 0.07 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 1xsx h LEU 67 Cb 1.18 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.19 1xsx h LEU 67 CO 0.11 0.27 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.03 1xsx h GLU 68 N 0.65 0.19 -0.09 1.25 5.08 -1.29 -2.25 114.58 118.12 1xsx h GLU 68 Ca 0.41 -0.12 0.04 0.00 -1.00 0.00 0.00 59.36 58.69 1xsx h GLU 68 Cb 0.50 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.72 1xsx h GLU 68 CO -0.31 0.70 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.81 1xsx h ASP 69 N -0.30 -0.45 -0.96 1.42 3.32 -0.35 -0.40 116.42 118.71 1xsx h ASP 69 Ca 0.00 0.08 0.14 0.00 0.02 0.00 0.00 57.03 57.27 1xsx h ASP 69 Cb 0.69 0.21 -0.08 0.00 0.22 0.00 0.00 39.33 40.37 1xsx h ASP 69 CO 0.03 -0.20 0.61 0.40 -1.72 0.00 0.00 179.24 178.36 1xsx h ILE 70 N -0.20 0.86 -0.27 0.35 1.08 0.71 -0.87 117.51 119.17 1xsx h ILE 70 Ca 0.08 -0.29 0.01 0.00 -0.39 0.00 0.00 64.86 64.27 1xsx h ILE 70 Cb 0.31 -0.06 -0.02 0.00 -3.07 0.00 0.00 36.82 33.99 1xsx h ILE 70 CO -0.21 0.15 0.17 -0.09 -0.69 0.00 0.00 178.15 177.49 1xsx h ARG 71 N 0.85 0.34 0.56 2.37 2.43 -0.47 -2.33 114.38 118.12 1xsx h ARG 71 Ca 0.48 -0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.61 1xsx h ARG 71 Cb 0.62 -0.08 0.01 0.00 -0.42 0.00 0.00 29.97 30.10 1xsx h ARG 71 CO -0.25 0.22 -0.27 0.87 -1.51 0.00 0.00 179.97 179.03 1xsx h LYS 72 N 0.35 -0.73 -0.72 0.20 1.79 -0.28 -1.46 116.57 115.72 1xsx h LYS 72 Ca 0.10 0.05 0.13 0.00 -2.18 0.00 0.00 60.65 58.75 1xsx h LYS 72 Cb -0.02 0.17 -0.13 0.00 -1.58 0.00 0.00 32.23 30.66 1xsx h LYS 72 CO -0.04 -0.49 -0.31 0.35 -1.08 0.00 0.00 179.45 177.89 1xsx h PHE 73 N -0.88 -0.81 -0.56 -1.35 3.57 -1.41 0.94 116.94 116.43 1xsx h PHE 73 Ca -0.08 0.08 0.03 0.00 3.53 0.00 0.00 57.97 61.53 1xsx h PHE 73 Cb 0.58 0.46 -0.03 0.00 2.79 0.00 0.00 35.95 39.75 1xsx h PHE 73 CO 0.06 -0.37 0.37 -0.97 -2.23 0.00 0.00 178.31 175.17 1xsx h ASN 74 N -0.09 0.57 -0.04 0.41 -1.24 -1.44 2.48 115.58 116.24 1xsx h ASN 74 Ca 0.29 -0.01 -0.02 0.00 0.71 0.00 0.00 56.30 57.28 1xsx h ASN 74 Cb 0.57 -0.13 -0.00 0.00 0.73 0.00 0.00 38.32 39.48 1xsx h ASN 74 CO -0.77 0.39 -0.06 -0.33 -1.29 0.00 0.00 177.43 175.37 1xsx h GLU 75 N 0.66 0.10 0.01 6.67 5.08 0.18 -2.41 114.58 124.87 1xsx h GLU 75 Ca 0.22 -0.06 -0.22 0.00 -1.00 0.00 0.00 59.36 58.30 1xsx h GLU 75 Cb 0.08 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.34 1xsx h GLU 75 CO -0.06 0.62 -0.95 0.52 -1.00 0.00 0.00 179.01 178.14 1xsx h MET 76 N -0.41 0.35 -0.15 2.33 2.86 0.42 -2.49 114.93 117.83 1xsx h MET 76 Ca 0.00 -0.39 0.01 0.00 -2.06 0.00 0.00 59.70 57.26 1xsx h MET 76 Cb 0.62 0.12 -0.01 0.00 0.06 0.00 0.00 31.60 32.38 1xsx h MET 76 CO 0.01 1.08 0.06 -0.09 1.06 0.00 0.00 176.91 179.03 1xsx h ARG 77 N 0.19 0.13 -0.14 1.72 1.12 0.42 0.40 114.38 118.22 1xsx h ARG 77 Ca -0.08 -0.01 -0.08 0.00 -1.11 0.00 0.00 59.98 58.71 1xsx h ARG 77 Cb 1.60 -0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 31.51 1xsx h ARG 77 CO 0.16 0.09 -0.25 -0.22 -3.11 0.00 0.00 179.97 176.63 1xsx h LYS 78 N 0.13 0.25 -0.06 0.20 3.64 -1.48 -1.57 116.57 117.68 1xsx h LYS 78 Ca 0.06 -0.08 -0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1xsx h LYS 78 Cb 0.03 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1xsx h LYS 78 CO -0.06 0.49 0.02 -0.97 -2.27 0.00 0.00 179.45 176.66 1xsx h ASN 79 N 0.22 0.08 0.05 4.20 -0.00 -0.78 0.58 115.58 119.94 1xsx h ASN 79 Ca 0.04 -0.20 0.03 0.00 -0.00 0.00 0.00 56.30 56.16 1xsx h ASN 79 Cb 0.57 -0.02 -0.05 0.00 -0.00 0.00 0.00 38.32 38.82 1xsx h ASN 79 CO 0.04 0.26 -0.37 -0.03 -0.00 0.00 0.00 177.43 177.33 1xsx h MET 80 N -0.10 -0.54 -0.74 6.67 4.05 0.20 1.31 114.93 125.80 1xsx h MET 80 Ca 0.02 0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.50 1xsx h MET 80 Cb 0.21 0.12 -0.04 0.00 -0.80 0.00 0.00 31.60 31.08 1xsx h MET 80 CO -0.00 -0.36 0.47 0.22 0.23 0.00 0.00 176.91 177.47 1xsx h ASP 81 N -0.56 0.77 -0.30 1.39 1.82 -1.11 2.24 116.42 120.67 1xsx h ASP 81 Ca 0.04 -0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.68 1xsx h ASP 81 Cb 0.62 -0.17 -0.01 0.00 0.68 0.00 0.00 39.33 40.44 1xsx h ASP 81 CO -0.26 0.53 0.19 1.56 -1.61 0.00 0.00 179.24 179.65 1xsx h GLN 82 N 0.91 0.40 -0.31 0.28 1.08 0.12 0.30 115.11 117.89 1xsx h GLN 82 Ca 0.29 -0.03 -0.03 0.00 -1.45 0.00 0.00 58.65 57.43 1xsx h GLN 82 Cb 0.01 -0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.34 1xsx h GLN 82 CO -0.11 0.30 0.09 -0.07 -0.95 0.00 0.00 178.83 178.09 1xsx h LEU 83 N 0.39 0.46 -0.70 1.46 3.38 0.27 -1.96 115.31 118.61 1xsx h LEU 83 Ca 0.11 -0.22 0.14 0.00 0.09 0.00 0.00 57.88 58.00 1xsx h LEU 83 Cb -0.01 -0.12 -0.10 0.00 0.09 0.00 0.00 40.66 40.52 1xsx h LEU 83 CO -0.02 0.55 0.20 0.50 0.09 0.00 0.00 178.44 179.76 1xsx h LYS 84 N 0.34 0.31 -0.43 1.13 3.11 0.43 0.27 116.57 121.74 1xsx h LYS 84 Ca 0.10 -0.02 -0.04 0.00 -2.81 0.00 0.00 60.65 57.88 1xsx h LYS 84 Cb 0.27 -0.07 -0.02 0.00 -1.00 0.00 0.00 32.23 31.40 1xsx h LYS 84 CO -0.00 0.21 0.10 1.49 -2.81 0.00 0.00 179.45 178.44 1xsx h GLU 85 N 0.32 0.64 -0.51 1.90 4.81 -0.51 -1.63 114.58 119.60 1xsx h GLU 85 Ca 0.38 -0.11 -0.06 0.00 -0.13 0.00 0.00 59.36 59.43 1xsx h GLU 85 Cb 0.60 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.85 1xsx h GLU 85 CO -0.44 0.59 0.05 -0.22 -0.73 0.00 0.00 179.01 178.26 1xsx h LYS 86 N 0.62 0.81 0.01 1.92 3.64 0.22 -1.63 116.57 122.17 1xsx h LYS 86 Ca 0.14 -0.20 -0.00 0.00 -1.27 0.00 0.00 60.65 59.33 1xsx h LYS 86 Cb 0.24 -0.11 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1xsx h LYS 86 CO -0.00 0.78 -0.01 0.82 -2.27 0.00 0.00 179.45 178.77 1xsx h ILE 87 N 0.77 1.11 -0.13 2.00 2.04 -0.20 -2.08 117.51 121.01 1xsx h ILE 87 Ca 0.16 -0.35 0.02 0.00 1.00 0.00 0.00 64.86 65.69 1xsx h ILE 87 Cb 0.39 1.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1xsx h ILE 87 CO 0.01 0.09 0.09 -1.13 0.00 0.00 0.00 178.15 177.21 1xsx h ASN 88 N -0.17 0.07 0.01 1.72 -1.24 -1.15 -0.74 115.58 114.08 1xsx h ASN 88 Ca -0.00 -0.00 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1xsx h ASN 88 Cb 0.16 -0.02 0.00 0.00 0.73 0.00 0.00 38.32 39.19 1xsx h ASN 88 CO 0.00 0.05 -0.00 -1.28 -1.29 0.00 0.00 177.43 174.91 1xsx h SER 89 N 0.08 -0.01 0.02 1.15 0.87 -0.63 0.52 113.55 115.55 1xsx h SER 89 Ca 0.06 -0.40 -0.18 0.00 -1.23 0.00 0.00 61.79 60.04 1xsx h SER 89 Cb 0.13 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.11 1xsx h SER 89 CO -0.01 0.39 -0.70 0.58 -0.53 0.00 0.00 176.83 176.56 1xsx h VAL 90 N -0.42 1.41 0.00 2.23 2.07 -1.21 -3.02 116.25 117.31 1xsx h VAL 90 Ca -0.00 -2.16 0.00 0.00 0.82 0.00 0.00 66.70 65.36 1xsx h VAL 90 Cb 0.41 2.64 0.00 0.00 -1.52 0.00 0.00 31.29 32.82 1xsx h VAL 90 CO 0.00 0.63 0.00 -0.11 0.02 0.00 0.00 177.57 178.12 1xsx n LEU 91 N -4.15 0.36 0.00 2.57 7.94 -0.31 -4.83 117.00 118.59 1xsx n LEU 91 Ca -0.11 0.55 0.00 0.00 -1.11 0.00 0.00 56.01 55.34 1xsx n LEU 91 Cb 0.73 -0.46 0.00 0.00 0.53 0.00 0.00 43.42 44.22 1xsx n LEU 91 CO 0.48 -0.20 0.00 -1.20 -1.11 0.00 0.00 177.39 175.36 1xsx n SER 92 N -1.86 0.00 0.00 1.96 7.64 0.18 -4.47 113.62 117.07 1xsx n SER 92 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 1xsx n SER 92 Cb 0.31 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.51 1xsx n SER 92 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1xsx n ILE 93 N 0.00 0.00 0.00 0.44 2.08 -1.25 -1.40 119.36 119.22 1xsx n ILE 93 Ca 0.00 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.31 1xsx n ILE 93 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 39.64 38.89 1xsx n ILE 93 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 1xsx n ARG 94 N 0.00 0.67 -0.87 0.38 1.74 -1.26 -5.22 116.66 112.10 1xsx n ARG 94 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1xsx n ARG 94 Cb 0.00 -0.05 0.00 0.00 -1.02 0.00 0.00 32.46 31.39 1xsx n ARG 94 CO 0.00 0.00 0.00 0.94 -1.52 0.00 0.00 177.63 177.05